(4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane

C13H22O2 — CID 71376216

IUPAC(4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane
SMILESC=C(C)C[C@H]1CCOC2(CCCCC2)O1
InChIInChI=1S/C13H22O2/c1-11(2)10-12-6-9-14-13(15-12)7-4-3-5-8-13/h12H,1,3-10H2,2H3/t12-/m1/s1
InChIKeyZVBOSTHXPOCXGG-GFCCVEGCSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds2

About (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane

(4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane (PubChem CID 71376216) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane
PubChem CID71376216
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane
SMILESC=C(C)C[C@H]1CCOC2(CCCCC2)O1
InChIInChI=1S/C13H22O2/c1-11(2)10-12-6-9-14-13(15-12)7-4-3-5-8-13/h12H,1,3-10H2,2H3/t12-/m1/s1
InChIKeyZVBOSTHXPOCXGG-GFCCVEGCSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane?
The IUPAC name of (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane (CID 71376216) is (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane.
What is the SMILES notation for (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane?
The canonical SMILES for (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane is C=C(C)C[C@H]1CCOC2(CCCCC2)O1.
What is the InChIKey of (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane?
The InChIKey is ZVBOSTHXPOCXGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2)10-12-6-9-14-13(15-12)7-4-3-5-8-13/h12H,1,3-10H2,2H3/t12-/m1/s1.
What are the key properties of (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane?
(4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylprop-2-enyl)-1,5-dioxaspiro[5.5]undecane is sourced from PubChem (CID 71376216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).